data_1d4u_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1d4u _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.83 121.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -128.15 -170.98 2.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.26 38.0 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.475 1.131 . . . . 0.0 109.254 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -137.91 -178.89 5.46 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.704 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.56 ' CG1' ' CE ' ' A' ' 21' ' ' MET . 10.5 p -160.53 154.78 3.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.124 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -115.78 128.56 72.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 41.4 t -51.45 124.32 11.75 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.83 -17.53 57.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 109.494 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 4.5 mm-40 -66.82 -57.37 7.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.895 . . . . 0.0 109.775 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.53 -14.67 8.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.938 . . . . 0.0 109.815 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 93.97 87.77 1.64 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.816 -1.713 . . . . 0.0 108.816 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -145.14 100.29 3.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.102 -1.234 . . . . 0.0 110.636 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.8 mp0 -44.53 157.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.204 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER 169.72 -161.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.362 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.486 ' O ' ' HG2' ' A' ' 21' ' ' MET . 7.0 ttt -158.0 -35.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.145 -0.972 . . . . 0.0 109.883 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 10.4 p-10 -170.43 134.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 3.2 m -139.9 -105.36 0.16 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.988 -1.07 . . . . 0.0 109.717 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' OH ' HD11 ' A' ' 41' ' ' LEU . 64.2 t80 -107.24 -26.08 11.21 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' CD2' HD21 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -108.03 -32.25 7.63 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.608 ' CA ' ' O ' ' A' ' 26' ' ' LEU . 25.5 ttt -91.71 7.83 39.84 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.687 0.756 . . . . 0.0 109.596 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 59.8 t0 -112.75 -34.25 5.85 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.398 -0.813 . . . . 0.0 109.132 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' CE1' ' CG ' ' A' ' 22' ' ' ASP . 11.2 m-70 -146.64 42.52 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.251 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.643 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -146.97 -33.06 0.29 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.031 -1.043 . . . . 0.0 110.838 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.632 ' CB ' ' O ' ' A' ' 24' ' ' PHE . 6.2 t0 96.48 25.54 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 ' O ' ' CA ' ' A' ' 21' ' ' MET . 4.9 tp -139.29 130.71 14.96 Favored Pre-proline 0 CA--C 1.472 -2.028 0 CA-C-O 123.098 1.428 . . . . 0.0 108.18 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.554 ' HA ' ' HB2' ' A' ' 21' ' ' MET . 38.2 Cg_endo -66.78 -83.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.274 -3.367 0 O-C-N 126.424 2.802 . . . . 0.0 111.45 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 2.5 m 49.2 -176.53 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.013 -1.055 . . . . 0.0 108.815 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 13' ' ' LYS . 1.4 p -150.75 -174.95 4.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.029 -1.045 . . . . 0.0 109.214 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.86 44.57 1.0 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 0.0 109.524 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.63 -44.53 0.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 m -62.75 -45.67 91.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 1.6 mtt180 47.13 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.65 -0.656 . . . . 0.0 110.325 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 39' ' ' HIS . 29.5 t70 -170.12 -33.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.404 -0.81 . . . . 0.0 110.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' CA ' ' A' ' 39' ' ' HIS . . . -98.14 6.53 47.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.816 -1.178 . . . . 0.0 108.676 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 3.1 t0 75.54 -16.54 0.58 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 121.71 -0.619 . . . . 0.0 110.446 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -142.97 -4.14 0.94 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 110.614 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' C ' ' CG ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -173.7 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.852 -1.155 . . . . 0.0 112.909 -176.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' N ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 63.13 29.68 16.13 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.19 -0.944 . . . . 0.0 108.745 -178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 1.9 ptpt -35.85 119.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.72 -176.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -0.884 . . . . 0.0 109.968 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.607 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 5.2 tt -138.32 130.86 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.405 -0.81 . . . . 0.0 109.184 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -43.39 135.7 3.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.256 -0.902 . . . . 0.0 109.586 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -59.15 -27.27 65.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.521 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 68.6 p -73.23 -47.95 39.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.508 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HA ' ' CG ' ' A' ' 50' ' ' GLU . 21.2 pt-20 -85.33 0.6 51.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.82 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 51' ' ' TYR . . . -87.24 -61.95 1.61 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.003 . . . . 0.0 110.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 53' ' ' LEU . 3.2 ptpt -83.66 -62.09 1.67 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.246 -0.909 . . . . 0.0 109.944 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' C ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -39.9 -56.18 1.85 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 9.9 mm-40 -58.34 -40.81 83.14 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.51 0.671 . . . . 0.0 109.216 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CE2' ' CG2' ' A' ' 89' ' ' ILE . 5.4 m-30 -72.05 12.81 0.37 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.437 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER 70.46 45.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.741 0.781 . . . . 0.0 109.622 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.577 ' CD1' ' CB ' ' A' ' 48' ' ' LYS . 1.1 pp -168.72 165.22 12.05 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.028 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -164.95 82.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 0.0 109.329 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 56' ' ' CYS . 4.0 t0 76.71 169.32 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.531 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER 81.83 -13.67 0.85 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.576 -0.702 . . . . 0.0 109.889 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.1 t70 -110.47 -56.78 2.3 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.751 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.631 ' CD1' ' N ' ' A' ' 58' ' ' LEU . 4.1 mp -72.4 -3.82 26.42 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.748 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -118.55 -0.95 11.27 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 56' ' ' CYS . 19.4 tttp -82.76 -30.9 28.62 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 9.3 mtt180 -116.72 -29.16 6.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.428 -0.795 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 3.0 tt0 75.4 64.09 0.26 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 0.0 109.475 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 62' ' ' GLU . 32.8 Cg_endo -75.65 173.33 14.68 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.848 2.365 . . . . 0.0 111.345 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 63' ' ' PRO . 36.7 Cg_endo -80.4 41.97 1.23 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.809 2.339 . . . . 0.0 110.81 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' CD1' ' HB3' ' A' ' 88' ' ' GLN . 13.7 tp -104.04 134.69 46.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.044 -1.035 . . . . 0.0 109.412 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 25' ' ' ASP . 12.6 mmtm -121.48 168.39 11.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.676 ' CD1' ' CZ ' ' A' ' 84' ' ' TYR . 3.5 p90 -140.83 164.64 29.67 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.855 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.586 HG22 ' CG ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -108.32 175.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 68' ' ' ILE . 1.5 t -171.58 101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.267 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 172.6 -177.24 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.689 -0.632 . . . . 0.0 109.558 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -53.18 144.09 16.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.441 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' OD1' ' HG2' ' A' ' 81' ' ' MET . 61.7 m-20 -64.13 143.95 98.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.445 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.52 -30.29 2.55 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.907 2.404 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -87.11 -171.34 3.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.0 109.68 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' SER . 24.8 m170 -54.79 172.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 58.61 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 0.0 109.543 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.19 85.36 2.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.89 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 79' ' ' GLY . 28.2 m95 -70.45 -170.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' TRP . . . -55.54 -106.28 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -93.43 169.81 10.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -1.124 . . . . 0.0 109.371 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.477 ' HG3' HD11 ' A' ' 83' ' ' LEU . 9.4 tpt -151.37 122.23 7.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.527 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 69' ' ' VAL . 1.1 mptp? -100.87 122.09 42.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.512 -0.742 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -126.81 160.78 29.89 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.172 -0.955 . . . . 0.0 109.803 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.676 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -137.32 138.36 39.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 109.22 179.43 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.643 ' CD1' ' CG ' ' A' ' 24' ' ' PHE . 1.2 tp -44.91 137.76 3.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.06 -1.025 . . . . 0.0 109.101 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 90' ' ' VAL . 3.2 ttmm -78.72 -47.21 17.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.156 -0.965 . . . . 0.0 110.357 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' CD1' HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -51.9 -59.78 3.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -59.3 -37.64 78.24 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.518 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.64 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 5.5 mm -60.43 -29.41 44.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.316 -0.865 . . . . 0.0 108.802 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 86' ' ' LYS . 23.1 t -76.55 -41.15 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.102 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -32.24 66.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.527 -0.733 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.478 ' O ' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -80.03 -48.48 13.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.577 ' OG ' ' CD2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -44.7 -35.84 2.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -81.46 -51.9 7.82 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.132 -0.98 . . . . 0.0 109.116 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.0 mt-10 -41.95 -31.02 0.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.423 -0.798 . . . . 0.0 109.225 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -86.68 -74.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 179.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.665 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 42.0 m95 -85.33 -37.12 20.29 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.363 -0.836 . . . . 0.0 109.254 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . 112.51 -10.38 26.08 Favored Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.459 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.518 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 8.5 t -174.23 148.15 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.823 -1.399 . . . . 0.0 110.317 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.28 -14.11 59.99 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 104' ' ' GLU . 2.1 tp10 -85.12 -24.14 28.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.93 45.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.665 ' CD2' ' CD1' ' A' ' 97' ' ' TRP . 42.7 mt -80.72 -59.79 2.55 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 101' ' ' GLU . 2.8 pp20? -50.34 -35.33 27.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 32.6 tt0 -77.2 -32.69 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 0.0 109.624 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 97' ' ' TRP . . . -68.4 -31.27 70.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 0.0 110.037 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -85.34 -26.44 26.53 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.984 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 105' ' ' GLU . 23.4 pt-20 -84.9 -22.44 29.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.065 -1.022 . . . . 0.0 109.02 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 10.0 p -84.98 -44.97 17.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.667 0.746 . . . . 0.0 109.245 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.554 ' N ' ' CG1' ' A' ' 109' ' ' VAL . 5.5 mtp180 -70.5 174.8 5.36 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.612 -0.68 . . . . 0.0 109.496 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.496 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.83 121.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -128.15 -170.98 2.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.26 38.0 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.475 1.131 . . . . 0.0 109.254 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -137.91 -178.89 5.46 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.704 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.8 HG11 ' CE ' ' A' ' 21' ' ' MET . 10.5 p -160.53 154.78 3.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.124 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -115.78 128.56 72.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 41.4 t -51.45 124.32 11.75 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.83 -17.53 57.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 109.494 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.82 -57.37 7.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.895 . . . . 0.0 109.775 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.53 -14.67 8.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.938 . . . . 0.0 109.815 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 93.97 87.77 1.64 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.816 -1.713 . . . . 0.0 108.816 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -145.14 100.29 3.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.102 -1.234 . . . . 0.0 110.636 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.8 mp0 -44.53 157.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.204 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER 169.72 -161.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.362 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.488 ' O ' ' HG2' ' A' ' 21' ' ' MET . 7.0 ttt -158.0 -35.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.145 -0.972 . . . . 0.0 109.883 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 10.4 p-10 -170.43 134.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 3.2 m -139.9 -105.36 0.16 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.988 -1.07 . . . . 0.0 109.717 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' OH ' HD12 ' A' ' 41' ' ' LEU . 64.2 t80 -107.24 -26.08 11.21 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.983 HD23 HD21 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -108.03 -32.25 7.63 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.8 ' CE ' HG11 ' A' ' 6' ' ' VAL . 25.5 ttt -91.71 7.83 39.84 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.687 0.756 . . . . 0.0 109.596 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 59.8 t0 -112.75 -34.25 5.85 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.398 -0.813 . . . . 0.0 109.132 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' CE1' ' CG ' ' A' ' 22' ' ' ASP . 11.2 m-70 -146.64 42.52 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.251 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.643 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -146.97 -33.06 0.29 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.031 -1.043 . . . . 0.0 110.838 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.632 ' CB ' ' O ' ' A' ' 24' ' ' PHE . 6.2 t0 96.48 25.54 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.653 HD22 HD22 ' A' ' 85' ' ' LEU . 4.9 tp -139.29 130.71 14.96 Favored Pre-proline 0 CA--C 1.472 -2.028 0 CA-C-O 123.098 1.428 . . . . 0.0 108.18 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.634 ' HA ' ' HB2' ' A' ' 21' ' ' MET . 38.2 Cg_endo -66.78 -83.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.274 -3.367 0 O-C-N 126.424 2.802 . . . . 0.0 111.45 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 29' ' ' CYS . 2.5 m 49.2 -176.53 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.013 -1.055 . . . . 0.0 108.815 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.722 ' H ' HG22 ' A' ' 28' ' ' THR . 1.4 p -150.75 -174.95 4.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.029 -1.045 . . . . 0.0 109.214 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.86 44.57 1.0 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 0.0 109.524 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.63 -44.53 0.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 m -62.75 -45.67 91.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 1.6 mtt180 47.13 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.65 -0.656 . . . . 0.0 110.325 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 39' ' ' HIS . 29.5 t70 -170.12 -33.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.404 -0.81 . . . . 0.0 110.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.928 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -98.14 6.53 47.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.816 -1.178 . . . . 0.0 108.676 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 3.1 t0 75.54 -16.54 0.58 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 121.71 -0.619 . . . . 0.0 110.446 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.97 -4.14 0.94 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' C ' ' CG ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -173.7 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.852 -1.155 . . . . 0.0 112.909 -176.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.928 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 63.13 29.68 16.13 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.19 -0.944 . . . . 0.0 108.745 -178.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HG2' ' HE3' ' A' ' 38' ' ' LYS . 1.9 ptpt -35.85 119.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.938 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.72 -176.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -0.884 . . . . 0.0 109.968 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.938 ' N ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt -138.32 130.86 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.405 -0.81 . . . . 0.0 109.184 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' HG2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -43.39 135.7 3.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.256 -0.902 . . . . 0.0 109.586 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -59.15 -27.27 65.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.521 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 68.6 p -73.23 -47.95 39.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.508 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 50' ' ' GLU . 21.2 pt-20 -85.33 0.6 51.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.82 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 51' ' ' TYR . . . -87.24 -61.95 1.61 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.003 . . . . 0.0 110.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' CB ' HD12 ' A' ' 53' ' ' LEU . 3.2 ptpt -83.66 -62.09 1.67 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.246 -0.909 . . . . 0.0 109.944 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' C ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -39.9 -56.18 1.85 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 9.9 mm-40 -58.34 -40.81 83.14 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.51 0.671 . . . . 0.0 109.216 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.901 ' CE2' HG22 ' A' ' 89' ' ' ILE . 5.4 m-30 -72.05 12.81 0.37 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.437 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER 70.46 45.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.741 0.781 . . . . 0.0 109.622 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD12 ' CB ' ' A' ' 48' ' ' LYS . 1.1 pp -168.72 165.22 12.05 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.028 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -164.95 82.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 0.0 109.329 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 56' ' ' CYS . 4.0 t0 76.71 169.32 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.531 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER 81.83 -13.67 0.85 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.576 -0.702 . . . . 0.0 109.889 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.1 t70 -110.47 -56.78 2.3 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.751 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 58' ' ' LEU . 4.1 mp -72.4 -3.82 26.42 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.748 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -118.55 -0.95 11.27 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 56' ' ' CYS . 19.4 tttp -82.76 -30.9 28.62 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 9.3 mtt180 -116.72 -29.16 6.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.428 -0.795 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 3.0 tt0 75.4 64.09 0.26 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 0.0 109.475 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 62' ' ' GLU . 32.8 Cg_endo -75.65 173.33 14.68 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.848 2.365 . . . . 0.0 111.345 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 63' ' ' PRO . 36.7 Cg_endo -80.4 41.97 1.23 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.809 2.339 . . . . 0.0 110.81 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD13 ' HB3' ' A' ' 88' ' ' GLN . 13.7 tp -104.04 134.69 46.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.044 -1.035 . . . . 0.0 109.412 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.633 ' H ' HD12 ' A' ' 65' ' ' LEU . 12.6 mmtm -121.48 168.39 11.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.676 ' CD1' ' CZ ' ' A' ' 84' ' ' TYR . 3.5 p90 -140.83 164.64 29.67 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.855 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.924 ' CG1' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -108.32 175.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 68' ' ' ILE . 1.5 t -171.58 101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.267 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 172.6 -177.24 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.689 -0.632 . . . . 0.0 109.558 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -53.18 144.09 16.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.441 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.471 ' OD1' ' HG2' ' A' ' 81' ' ' MET . 61.7 m-20 -64.13 143.95 98.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.445 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.52 -30.29 2.55 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.907 2.404 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -87.11 -171.34 3.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.0 109.68 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' SER . 24.8 m170 -54.79 172.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 58.61 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 0.0 109.543 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.19 85.36 2.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.89 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 79' ' ' GLY . 28.2 m95 -70.45 -170.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' TRP . . . -55.54 -106.28 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -93.43 169.81 10.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -1.124 . . . . 0.0 109.371 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.79 ' HG3' HD11 ' A' ' 83' ' ' LEU . 9.4 tpt -151.37 122.23 7.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.527 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.957 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.1 mptp? -100.87 122.09 42.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.512 -0.742 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -126.81 160.78 29.89 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.172 -0.955 . . . . 0.0 109.803 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.676 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -137.32 138.36 39.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 109.22 179.43 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.983 HD21 HD23 ' A' ' 20' ' ' LEU . 1.2 tp -44.91 137.76 3.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.06 -1.025 . . . . 0.0 109.101 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.2 ttmm -78.72 -47.21 17.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.156 -0.965 . . . . 0.0 110.357 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -51.9 -59.78 3.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.987 ' HB3' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -59.3 -37.64 78.24 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.518 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.901 HG22 ' CE2' ' A' ' 51' ' ' TYR . 5.5 mm -60.43 -29.41 44.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.316 -0.865 . . . . 0.0 108.802 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 86' ' ' LYS . 23.1 t -76.55 -41.15 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.102 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -32.24 66.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.527 -0.733 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.57 ' O ' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -80.03 -48.48 13.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.559 ' OG ' ' CD2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -44.7 -35.84 2.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -81.46 -51.9 7.82 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.132 -0.98 . . . . 0.0 109.116 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.0 mt-10 -41.95 -31.02 0.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.423 -0.798 . . . . 0.0 109.225 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -86.68 -74.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 179.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 1.037 ' CD1' HD21 ' A' ' 103' ' ' LEU . 42.0 m95 -85.33 -37.12 20.29 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.363 -0.836 . . . . 0.0 109.254 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . 112.51 -10.38 26.08 Favored Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.459 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.792 ' HA ' HD22 ' A' ' 94' ' ' LEU . 8.5 t -174.23 148.15 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.823 -1.399 . . . . 0.0 110.317 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.62 ' OE1' HG13 ' A' ' 90' ' ' VAL . 5.2 mt-30 -65.28 -14.11 59.99 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 104' ' ' GLU . 2.1 tp10 -85.12 -24.14 28.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.93 45.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.037 HD21 ' CD1' ' A' ' 97' ' ' TRP . 42.7 mt -80.72 -59.79 2.55 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 101' ' ' GLU . 2.8 pp20? -50.34 -35.33 27.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 32.6 tt0 -77.2 -32.69 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 0.0 109.624 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' ' CZ3' ' A' ' 97' ' ' TRP . . . -68.4 -31.27 70.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 0.0 110.037 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -85.34 -26.44 26.53 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.984 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 105' ' ' GLU . 23.4 pt-20 -84.9 -22.44 29.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.065 -1.022 . . . . 0.0 109.02 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 110' ' ' ARG . 10.0 p -84.98 -44.97 17.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.667 0.746 . . . . 0.0 109.245 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.588 ' N ' HG13 ' A' ' 109' ' ' VAL . 5.5 mtp180 -70.5 174.8 5.36 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.612 -0.68 . . . . 0.0 109.496 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.496 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.83 121.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -128.15 -170.98 2.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 109.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.26 38.0 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 122.475 1.131 . . . . 0.0 109.254 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -137.91 -178.89 5.46 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.704 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.8 HG11 ' CE ' ' A' ' 21' ' ' MET . 10.5 p -160.53 154.78 3.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.124 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -115.78 128.56 72.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 41.4 t -51.45 124.32 11.75 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.83 -17.53 57.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.418 -0.801 . . . . 0.0 109.494 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.82 -57.37 7.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.895 . . . . 0.0 109.775 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.53 -14.67 8.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.938 . . . . 0.0 109.815 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 93.97 87.77 1.64 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.816 -1.713 . . . . 0.0 108.816 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -145.14 100.29 3.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.102 -1.234 . . . . 0.0 110.636 -179.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.8 mp0 -44.53 157.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.204 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER 169.72 -161.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.362 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.488 ' O ' ' HG2' ' A' ' 21' ' ' MET . 7.0 ttt -158.0 -35.58 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.145 -0.972 . . . . 0.0 109.883 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 10.4 p-10 -170.43 134.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 3.2 m -139.9 -105.36 0.16 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.988 -1.07 . . . . 0.0 109.717 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' OH ' HD12 ' A' ' 41' ' ' LEU . 64.2 t80 -107.24 -26.08 11.21 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.983 HD23 HD21 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -108.03 -32.25 7.63 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.8 ' CE ' HG11 ' A' ' 6' ' ' VAL . 25.5 ttt -91.71 7.83 39.84 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.687 0.756 . . . . 0.0 109.596 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 59.8 t0 -112.75 -34.25 5.85 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.398 -0.813 . . . . 0.0 109.132 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' CE1' ' CG ' ' A' ' 22' ' ' ASP . 11.2 m-70 -146.64 42.52 1.16 Allowed 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.251 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.643 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -146.97 -33.06 0.29 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.031 -1.043 . . . . 0.0 110.838 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.632 ' CB ' ' O ' ' A' ' 24' ' ' PHE . 6.2 t0 96.48 25.54 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.653 HD22 HD22 ' A' ' 85' ' ' LEU . 4.9 tp -139.29 130.71 14.96 Favored Pre-proline 0 CA--C 1.472 -2.028 0 CA-C-O 123.098 1.428 . . . . 0.0 108.18 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.634 ' HA ' ' HB2' ' A' ' 21' ' ' MET . 38.2 Cg_endo -66.78 -83.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.274 -3.367 0 O-C-N 126.424 2.802 . . . . 0.0 111.45 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 29' ' ' CYS . 2.5 m 49.2 -176.53 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.013 -1.055 . . . . 0.0 108.815 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.722 ' H ' HG22 ' A' ' 28' ' ' THR . 1.4 p -150.75 -174.95 4.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.029 -1.045 . . . . 0.0 109.214 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.86 44.57 1.0 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 0.0 109.524 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.63 -44.53 0.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 m -62.75 -45.67 91.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 1.6 mtt180 47.13 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.65 -0.656 . . . . 0.0 110.325 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 39' ' ' HIS . 29.5 t70 -170.12 -33.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.404 -0.81 . . . . 0.0 110.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.928 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -98.14 6.53 47.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.816 -1.178 . . . . 0.0 108.676 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 3.1 t0 75.54 -16.54 0.58 Allowed 'General case' 0 C--N 1.309 -1.192 0 O-C-N 121.71 -0.619 . . . . 0.0 110.446 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.97 -4.14 0.94 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.295 -0.878 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' C ' ' CG ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -173.7 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.852 -1.155 . . . . 0.0 112.909 -176.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.928 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 63.13 29.68 16.13 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.19 -0.944 . . . . 0.0 108.745 -178.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HG2' ' HE3' ' A' ' 38' ' ' LYS . 1.9 ptpt -35.85 119.97 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.938 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.72 -176.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -0.884 . . . . 0.0 109.968 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.938 ' N ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt -138.32 130.86 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.405 -0.81 . . . . 0.0 109.184 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' HG2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -43.39 135.7 3.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.256 -0.902 . . . . 0.0 109.586 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -59.15 -27.27 65.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.521 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 68.6 p -73.23 -47.95 39.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.508 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 50' ' ' GLU . 21.2 pt-20 -85.33 0.6 51.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.82 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 51' ' ' TYR . . . -87.24 -61.95 1.61 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.003 . . . . 0.0 110.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' CB ' HD12 ' A' ' 53' ' ' LEU . 3.2 ptpt -83.66 -62.09 1.67 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.246 -0.909 . . . . 0.0 109.944 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.509 ' C ' ' O ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -39.9 -56.18 1.85 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 9.9 mm-40 -58.34 -40.81 83.14 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.51 0.671 . . . . 0.0 109.216 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.901 ' CE2' HG22 ' A' ' 89' ' ' ILE . 5.4 m-30 -72.05 12.81 0.37 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.437 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' ' N ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER 70.46 45.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.741 0.781 . . . . 0.0 109.622 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD12 ' CB ' ' A' ' 48' ' ' LYS . 1.1 pp -168.72 165.22 12.05 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.028 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -164.95 82.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 0.0 109.329 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 56' ' ' CYS . 4.0 t0 76.71 169.32 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.531 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER 81.83 -13.67 0.85 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.576 -0.702 . . . . 0.0 109.889 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.1 t70 -110.47 -56.78 2.3 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.751 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 58' ' ' LEU . 4.1 mp -72.4 -3.82 26.42 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.748 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -118.55 -0.95 11.27 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 56' ' ' CYS . 19.4 tttp -82.76 -30.9 28.62 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 9.3 mtt180 -116.72 -29.16 6.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.428 -0.795 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 3.0 tt0 75.4 64.09 0.26 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 0.0 109.475 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 62' ' ' GLU . 32.8 Cg_endo -75.65 173.33 14.68 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.848 2.365 . . . . 0.0 111.345 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 63' ' ' PRO . 36.7 Cg_endo -80.4 41.97 1.23 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.809 2.339 . . . . 0.0 110.81 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD13 ' HB3' ' A' ' 88' ' ' GLN . 13.7 tp -104.04 134.69 46.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.044 -1.035 . . . . 0.0 109.412 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.633 ' H ' HD12 ' A' ' 65' ' ' LEU . 12.6 mmtm -121.48 168.39 11.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.148 -0.97 . . . . 0.0 109.708 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.676 ' CD1' ' CZ ' ' A' ' 84' ' ' TYR . 3.5 p90 -140.83 164.64 29.67 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.855 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.924 ' CG1' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -108.32 175.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 68' ' ' ILE . 1.5 t -171.58 101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.267 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 172.6 -177.24 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.689 -0.632 . . . . 0.0 109.558 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -53.18 144.09 16.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.441 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.471 ' OD1' ' HG2' ' A' ' 81' ' ' MET . 61.7 m-20 -64.13 143.95 98.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.445 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.52 -30.29 2.55 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.907 2.404 . . . . 0.0 110.576 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -87.11 -171.34 3.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.0 109.68 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' SER . 24.8 m170 -54.79 172.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 58.61 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 0.0 109.543 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.19 85.36 2.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.89 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 79' ' ' GLY . 28.2 m95 -70.45 -170.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' TRP . . . -55.54 -106.28 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -93.43 169.81 10.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -1.124 . . . . 0.0 109.371 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.79 ' HG3' HD11 ' A' ' 83' ' ' LEU . 9.4 tpt -151.37 122.23 7.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.527 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.957 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.1 mptp? -100.87 122.09 42.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.512 -0.742 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -126.81 160.78 29.89 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.172 -0.955 . . . . 0.0 109.803 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.676 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -137.32 138.36 39.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 109.22 179.43 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.983 HD21 HD23 ' A' ' 20' ' ' LEU . 1.2 tp -44.91 137.76 3.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.06 -1.025 . . . . 0.0 109.101 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.2 ttmm -78.72 -47.21 17.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.156 -0.965 . . . . 0.0 110.357 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD11 HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -51.9 -59.78 3.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.137 -0.977 . . . . 0.0 110.14 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.987 ' HB3' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -59.3 -37.64 78.24 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.518 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.901 HG22 ' CE2' ' A' ' 51' ' ' TYR . 5.5 mm -60.43 -29.41 44.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.316 -0.865 . . . . 0.0 108.802 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 86' ' ' LYS . 23.1 t -76.55 -41.15 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.804 . . . . 0.0 109.102 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -32.24 66.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.527 -0.733 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.57 ' O ' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -80.03 -48.48 13.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.559 ' OG ' ' CD2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -44.7 -35.84 2.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -81.46 -51.9 7.82 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.132 -0.98 . . . . 0.0 109.116 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' LEU . 4.0 mt-10 -41.95 -31.02 0.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.423 -0.798 . . . . 0.0 109.225 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -86.68 -74.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 179.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 1.037 ' CD1' HD21 ' A' ' 103' ' ' LEU . 42.0 m95 -85.33 -37.12 20.29 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.363 -0.836 . . . . 0.0 109.254 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . 112.51 -10.38 26.08 Favored Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.459 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.792 ' HA ' HD22 ' A' ' 94' ' ' LEU . 8.5 t -174.23 148.15 1.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.823 -1.399 . . . . 0.0 110.317 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.62 ' OE1' HG13 ' A' ' 90' ' ' VAL . 5.2 mt-30 -65.28 -14.11 59.99 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 104' ' ' GLU . 2.1 tp10 -85.12 -24.14 28.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.93 45.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.037 HD21 ' CD1' ' A' ' 97' ' ' TRP . 42.7 mt -80.72 -59.79 2.55 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 101' ' ' GLU . 2.8 pp20? -50.34 -35.33 27.26 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 32.6 tt0 -77.2 -32.69 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 0.0 109.624 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.435 ' CB ' ' CZ3' ' A' ' 97' ' ' TRP . . . -68.4 -31.27 70.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 0.0 110.037 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -85.34 -26.44 26.53 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.984 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 105' ' ' GLU . 23.4 pt-20 -84.9 -22.44 29.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.065 -1.022 . . . . 0.0 109.02 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 110' ' ' ARG . 10.0 p -84.98 -44.97 17.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.667 0.746 . . . . 0.0 109.245 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.588 ' N ' HG13 ' A' ' 109' ' ' VAL . 5.5 mtp180 -70.5 174.8 5.36 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.612 -0.68 . . . . 0.0 109.496 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.496 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_